Chemical Physics Letters, 0009-2614

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  1. Gauge-origin independent magnetizabilities from hybrid quantum mechanics/molecular mechanics models: Theory and applications to liquid water

    Aidas, K., Kongsted, J., Nielsen, C. B., Mikkelsen, K. V., Christiansen, O. & Ruud, K., 2007, In : Chemical Physics Letters. 442, 4-6, p. 322-328

    Research output: Contribution to journalArticle

  2. Autoionisation of super excited states in N2 to the N2+ B state

    Álvarez Ruiz, J., Coreno, M., Erman, P., Kivimäki, A., Melero García, E., Prince, K., de Simone, M., Rachlew, E., Richter, R., Jaume Rius i Riu & Veseth, L., 2003, In : Chemical Physics Letters. 372, 1-2, p. 139-146

    Research output: Contribution to journalLetter

  3. Vibrational fine structure in the C 1s core level photoemission of chemisorbed molecules: Ethylene and ethylidyne on Rh(111)

    J. N. Andersen, Beutler, A., Stacey Ristinmaa Sörensen, R. Nyholm, Setlik, B. & Heskett, D., 1997 May 2, In : Chemical Physics Letters. 269, 3-4, p. 371-377 7 p.

    Research output: Contribution to journalArticle

  4. Differences in the Cs 4d and 5p surface and interface core-level shifts

    J. N. Andersen, E. Lundgren & R. Nyholm, 1994 Aug 12, In : Chemical Physics Letters. 226, 1-2, p. 106-110 5 p.

    Research output: Contribution to journalArticle

  5. Ultrafast singlet energy transfer competes with intersystem crossing in a multi-center transition metal polypyridine complex

    Andersson, J., Puntoriero, F., Serroni, S., Arkady Yartsev, Torbjörn Pascher, Polivka, T., Campagna, S. & Villy Sundström, 2004, In : Chemical Physics Letters. 386, 4-6, p. 336-341

    Research output: Contribution to journalArticle

  6. Quartic scaling evaluation of canonical scaled opposite spin second-order Moller-Plesset correlation energy using Cholesky decompositions

    Aquilante, F. & Pedersen, T., 2007, In : Chemical Physics Letters. 449, 4-6, p. 354-357

    Research output: Contribution to journalArticle

  7. The allyl radical revisited: A theoretical study of the electronic spectrum.

    Aquilante, F., Jensen, K. & Roos, B., 2003, In : Chemical Physics Letters. 380, 5-6, p. 689-698

    Research output: Contribution to journalArticle

  8. First observation of vibrations in core-level photoelectron spectra of free neutral molecular clusters

    Bergersen, H., Abu-samha, M., Lindblad, A., Marinho, R. R. T., Ceolin, D., Ohrwall, G., Saethre, L. J., Maxim Tchaplyguine, Borve, K. J., Svensson, S. & Bjorneholm, O., 2006, In : Chemical Physics Letters. 429, 1-3, p. 109-113

    Research output: Contribution to journalArticle

  9. Detection of carbon using amplified laser-induced fluorescence

    Bergstrom, H., Hallstadius, H., Lundberg, H. & Persson, A., 1989, In : Chemical Physics Letters. 155, p. 27-31

    Research output: Contribution to journalArticle

  10. Dynamics of vibrational relaxation in the S-1 state of carotenoids having 11 conjugated C=C bonds

    Billsten, H., Donatas Zigmantas, Villy Sundström & Polivka, T., 2002, In : Chemical Physics Letters. 355, 5-6, p. 465-470

    Research output: Contribution to journalArticle

  11. Dynamics of extremely anisotropic etching of InP nanowires by HCl

    Magnus Borgström, Jesper Wallentin, Kawaguchi, K., Lars Samuelson & Knut Deppert, 2011, In : Chemical Physics Letters. 502, 4-6, p. 222-224

    Research output: Contribution to journalArticle

  12. Electronic structure and chemical bonding in W-2 molecule

    Borin, A. C., Gobbo, J. P. & Roos, B., 2010, In : Chemical Physics Letters. 490, 1-3, p. 24-28

    Research output: Contribution to journalArticle

  13. The lowest-lying doublet electronic states of CoC - A theoretical study

    Borin, AC., Gobbo, JP. & Roos, B., 2006, In : Chemical Physics Letters. 418, 4-6, p. 311-316

    Research output: Contribution to journalArticle

  14. Inelastic neutron scattering of methyl tunnelling in isotopic mixtures of dibromomesitylene

    Boukaoud, A., Meinnel, J., Boudjada, A., Juranyi, F., Carlile, C. & Jeannin, O., 2011, In : Chemical Physics Letters. 509, 1-3, p. 20-24

    Research output: Contribution to journalArticle

  15. Controlling excitonic wavepacket motion in the PS1 core-antenna system

    Brüggemann, B. & May, V., 2004, In : Chemical Physics Letters. 400, 4-6, p. 573-577

    Research output: Contribution to journalArticle

  16. Non-perturbative calculation of 2D spectra in heterogeneous systems: Exciton relaxation in the FMO complex

    Brüggemann, B., Kjellberg, P. & Tönu Pullerits, 2007, In : Chemical Physics Letters. 444, 1-3, p. 192-196

    Research output: Contribution to journalArticle

  17. Analysing the chromium-chromium multiple bonds using multiconfigurational quantum chemistry

    Brynda, M., Gagliardi, L. & Roos, B., 2009, In : Chemical Physics Letters. 471, 1-3, p. 1-10

    Research output: Contribution to journalArticle

  18. Adsorption of NO on Fe3O4(111)

    Busch, M., Mehar, V., Merte, L. R., Shipilin, M., Edvin Lundgren, Weaver, J. F. & Grönbeck, H., 2018 Feb 1, In : Chemical Physics Letters. 693, p. 84-87 4 p.

    Research output: Contribution to journalArticle

  19. Distinctive character of electronic and vibrational coherences in disordered molecular aggregates

    Butkus, V., Donatas Zigmantas, Abramavicius, D. & Valkunas, L., 2013, In : Chemical Physics Letters. 587, p. 93-98

    Research output: Contribution to journalArticle

  20. Vibrational vs. electronic coherences in 2D spectrum of molecular systems

    Butkus, V., Donatas Zigmantas, Valkunas, L. & Abramavicius, D., 2012, In : Chemical Physics Letters. 545, p. 40-43

    Research output: Contribution to journalArticle

  21. Structure and dynamics of small water clusters, trapped in inert matrices

    Ceponkus, J., Anders Engdahl, Per Uvdal & Nelander, B., 2013, In : Chemical Physics Letters. 581, p. 1-9

    Research output: Contribution to journalArticle

  22. Three-pulse photon echo peak shift in optically dense samples

    Christensson, N., Dietzek, B., Torbjörn Pascher, Arkady Yartsev & Tönu Pullerits, 2008, In : Chemical Physics Letters. 457, 1-3, p. 106-109

    Research output: Contribution to journalArticle

  23. Collective excitation dynamics and polaron formation in molecular aggregates

    Dahlbom, M., Beenken, W., Villy Sundström & Tönu Pullerits, 2002, In : Chemical Physics Letters. 364, 5-6, p. 556-561

    Research output: Contribution to journalArticle

  24. Intermolecular exciton-exciton annihilation in phospholipid vesicles doped with [Ru(bpy)(2)dppz](2+)

    De la Cadena, A., Torbjörn Pascher, Davydova, D., Akimov, D., Herrmann, F., Presselt, M., Waechtler, M. & Dietzek, B., 2016, In : Chemical Physics Letters. 644, p. 56-61

    Research output: Contribution to journalArticle

  25. The ozone ring closure as a test for multi-state multi-configurational second order perturbation theory (MS-CASPT2)

    De Vico, L., Pegado, L., Heimdal, J., Pär Söderhjelm & Roos, B., 2008, In : Chemical Physics Letters. 461, 1-3, p. 136-141

    Research output: Contribution to journalArticle

  26. Wavelength-dependent photoproduct formation of phycocyanobilin in solution - Indications for competing reaction pathways

    Dietzek, B., Fey, S., Matute, R. A., Gonzalez, L., Schmitt, M., Popp, J., Arkady Yartsev & Hermann, G., 2011, In : Chemical Physics Letters. 515, 1-3, p. 163-169

    Research output: Contribution to journalArticle

  27. Dynamics of charge separation in the excited-state chemistry of protochlorophyllide

    Dietzek, B., Tschierlei, S., Hanf, R., Seidel, S., Arkady Yartsev, Schmitt, M., Hermann, G. & Popp, J., 2010, In : Chemical Physics Letters. 492, 1-3, p. 157-163

    Research output: Contribution to journalArticle

  28. On the excited-state multi-dimensionality in cyanines

    Dietzek, B., Brüggemann, B., Petter Persson & Arkady Yartsev, 2008, In : Chemical Physics Letters. 455, 1-3, p. 13-19

    Research output: Contribution to journalArticle

  29. Autoionization Widths of the No Rydberg-valence State Complex In the 11-12 Ev Region

    Erman, P., Karawajczyk, A., Rachlewkallne, E., Mevel, E., Zerne, R., Anne L'Huillier & Claes-Göran Wahlström, 1995, In : Chemical Physics Letters. 239, 1-3, p. 6-10

    Research output: Contribution to journalArticle

  30. Direct Determination of the Ionization-potential of Co By Resonantly Enhanced Multiphoton Ionization Mass-spectroscopy

    Erman, P., Karawajczyk, A., Rachlew-Kallne, E., Stromholm, C., Jörgen Larsson, Persson, A. & Zerne, R., 1993, In : Chemical Physics Letters. 215, 1-3, p. 173-178

    Research output: Contribution to journalArticle

  31. A quantitative analysis of the N 1s ->pi* photoabsorption profile in N-2: new spectroscopical constants for the core-excited state

    Feifel, R., Andersson, M., Ohrwall, G., Stacey Ristinmaa Sörensen, Piancastelli, MN., Tchaplyguine, M., Bjorneholm, O., Karlsson, L. & Svensson, S., 2004, In : Chemical Physics Letters. 383, 3-4, p. 222-229

    Research output: Contribution to journalArticle

  32. Coupled cluster calculations of interaction energies in benzene-fluorobenzene van der Waals complexes

    Fernandez, B., Pedersen, T., Sanchez de Meras, A. & Koch, H., 2007, In : Chemical Physics Letters. 441, 4-6, p. 332-335

    Research output: Contribution to journalArticle

  33. Polarizabilities of small annulenes from Cholesky CC2 linear response theory

    Garcia Cuesta, I., Pedersen, T., Koch, H. & Sanchez de Meras, A. M. K., 2004, In : Chemical Physics Letters. 390, 1-3, p. 170-175

    Research output: Contribution to journalArticle

  34. A modified definition of the zeroth-order Hamiltonian in multiconfigurational perturbation theory (CASPT2)

    Ghigo, G., Roos, B. & Per-Åke Malmqvist, 2004, In : Chemical Physics Letters. 396, 1-3, p. 142-149

    Research output: Contribution to journalArticle

  35. Water adsorption on O-covered Ru {0001}: Coverage-dependent change from dissociation to molecular adsorption

    Gladys, MJ., Anders Mikkelsen, Jesper N Andersen & Held, G., 2005, In : Chemical Physics Letters. 414, 4-6, p. 311-315

    Research output: Contribution to journalArticle

  36. A molecule wired: Electrostatic investigation

    Hansen, T., Pedersen, T. & Mikkelsen, K. V., 2005, In : Chemical Physics Letters. 405, 1-3, p. 118-122

    Research output: Contribution to journalArticle

  37. Rate coefficients for the chemical reactions of CH2F2, CHClF2, CH2FCF3 and CH3CCl3 with O(D-1) at 298 K

    Elna Heimdal Nilsson, Andersen, V. F., Nielsen, O. J. & Johnson, M. S., 2012, In : Chemical Physics Letters. 554, p. 27-32

    Research output: Contribution to journalArticle

  38. Li insertion in thin film anatase TiO2: identification of a two-phase regime with photoelectron spectroscopy

    Henningsson, A., Andersson, MP., Per Uvdal, Siegbahn, H. & Sandell, A., 2002, In : Chemical Physics Letters. 360, 1-2, p. 85-90

    Research output: Contribution to journalArticle

  39. Evidence of ultra-fast dissociation in ammonia observed by resonant Auger electron spectroscopy

    Hjelte, I., Piancastelli, MN., Jansson, CM., Wiesner, K., Bjorneholm, O., Bassler, M., Stacey Ristinmaa Sörensen & Svensson, S., 2003, In : Chemical Physics Letters. 370, 5-6, p. 781-788

    Research output: Contribution to journalArticle

  40. The charge capacity of the chemical bond

    Holt, A., Gunnar Karlström & Lindh, R., 2007, In : Chemical Physics Letters. 436, 1-3, p. 297-301

    Research output: Contribution to journalArticle

  41. Theoretical study of PbO and the PbO anion

    Ilias, M., Jensen, H. J. A., Kello, V., Roos, B. & Urban, M., 2005, In : Chemical Physics Letters. 408, 4-6, p. 210-215

    Research output: Contribution to journalArticle

  42. Relative rate study of the kinetic isotope effect in the (CH3D)-C-13 + Cl reaction

    Joelsson, L. M. T., Forecast, R., Schmidt, J. A., Meusinger, C., Elna Heimdal Nilsson, Ono, S. & Johnson, M. S., 2014, In : Chemical Physics Letters. 605, p. 152-157

    Research output: Contribution to journalArticle

  43. Valence electronic structure of ruthenium based complexes probed by photoelectron spectroscopy at high kinetic energy (HIKE) and modeled by DFT calculations

    Johansson, E., Odelius, M., Gorgoi, M., Karis, O., Ovsyannikov, R., Schafers, F., Svensson, S., Siegbahn, H. & Rensmo, H., 2008, In : Chemical Physics Letters. 464, 4-6, p. 192-197

    Research output: Contribution to journalArticle

  44. Theoretical study of the gas phase reaction of methyl acetate with the hydroxyl radical: Structures, mechanisms, rates and temperature dependencies

    Jørgensen, S., Andersen, V. F., Elna J.k. Nilsson, Nielsen, O. J. & Johnson, M. S., 2010 Apr 1, In : Chemical Physics Letters. 490, 4-6, p. 116-122

    Research output: Contribution to journalArticle

  45. Ionization In Collisions Between Excited Sodium Dimers and Atoms

    Klavins, J., Jansons, M., Ekers, A., Cayian, L. & Sune Svanberg, 1994, In : Chemical Physics Letters. 228, 4-5, p. 346-350

    Research output: Contribution to journalArticle

  46. Direct ESR Evidence for SH2 Type Reaction of a Methyl Radical with Methylsilane and Methylgermane in a Low Temperature Solid: a Deuterium Labelling Study

    Komaguchi, K., Norberg, D., Nakazawa, N., Shiotani, M., Petter Persson & Lunell, S., 2005, In : Chemical Physics Letters. 410, 1-3, p. 1-5

    Research output: Contribution to journalLetter

  47. Solvent effects on zero-point vibrational corrections to optical rotations and nuclear magnetic resonance shielding constants

    Kongsted, J. & Ruud, K., 2008, In : Chemical Physics Letters. 451, 4-6, p. 226-232

    Research output: Contribution to journalArticle

  48. Coupled cluster calculations of the optical rotation of S-propylene oxide in gas phase and solution

    Kongsted, J., Pedersen, T., Strange, M., Osted, A., Hansen, A. E., Mikkelsen, K. V., Pawlowski, F., Jorgensen, P. & Hattig, C., 2005, In : Chemical Physics Letters. 401, 4-6, p. 385-392

    Research output: Contribution to journalArticle

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